1-ethyl-6-fluoro-2-[(2-methoxyphenoxy)methyl]indole

C18H18FNO2 — CID 117180685

IUPAC1-ethyl-6-fluoro-2-[(2-methoxyphenoxy)methyl]indole
SMILESCCn1c(COc2ccccc2OC)cc2ccc(F)cc21
InChIInChI=1S/C18H18FNO2/c1-3-20-15(10-13-8-9-14(19)11-16(13)20)12-22-18-7-5-4-6-17(18)21-2/h4-11H,3,12H2,1-2H3
InChIKeyHKUMUERDYOAOOP-UHFFFAOYSA-N
MW299.35 g/mol
LogP4.39
Rot. Bonds5

About 1-ethyl-6-fluoro-2-[(2-methoxyphenoxy)methyl]indole

1-ethyl-6-fluoro-2-[(2-methoxyphenoxy)methyl]indole (PubChem CID 117180685) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-2-[(2-methoxyphenoxy)methyl]indole.

Molecular Properties

Compound Name1-ethyl-6-fluoro-2-[(2-methoxyphenoxy)methyl]indole
PubChem CID117180685
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name1-ethyl-6-fluoro-2-[(2-methoxyphenoxy)methyl]indole
SMILESCCn1c(COc2ccccc2OC)cc2ccc(F)cc21
InChIInChI=1S/C18H18FNO2/c1-3-20-15(10-13-8-9-14(19)11-16(13)20)12-22-18-7-5-4-6-17(18)21-2/h4-11H,3,12H2,1-2H3
InChIKeyHKUMUERDYOAOOP-UHFFFAOYSA-N
XLogP4.39
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenoxy)methyl]-1-ethyl-6-fluoroindole
CID 117180708
1-ethyl-2-[(2-methoxyphenoxy)methyl]indol-4-ol
CID 117173851
1-ethyl-5-fluoro-2-(phenoxymethyl)indole
CID 117177203
[1-ethyl-2-[(4-fluorophenoxy)methyl]indol-6-yl]methanamine
CID 117180500
1-ethyl-5-fluoro-2-[(4-fluorophenoxy)methyl]indole
CID 117177295
1-ethyl-5-fluoro-2-[(3-fluorophenoxy)methyl]indole
CID 117177258
2-[(5-amino-1-ethylindol-2-yl)methoxy]phenol
CID 117177231
[1-ethyl-2-(phenoxymethyl)indol-6-yl]methanamine
CID 117180480
1-ethyl-2-(methoxymethyl)-6-methylindole
CID 117186050
1-fluoro-4-[(2-methoxyphenoxy)methyl]benzene
CID 957472
1-ethyl-5-fluoro-2-[(3-methylphenoxy)methyl]indole
CID 117177248
1-ethyl-2-(phenoxymethyl)indole-6-carboxylic acid
CID 117180897

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-2-[(2-methoxyphenoxy)methyl]indole?
The IUPAC name of 1-ethyl-6-fluoro-2-[(2-methoxyphenoxy)methyl]indole (CID 117180685) is 1-ethyl-6-fluoro-2-[(2-methoxyphenoxy)methyl]indole.
What is the SMILES notation for 1-ethyl-6-fluoro-2-[(2-methoxyphenoxy)methyl]indole?
The canonical SMILES for 1-ethyl-6-fluoro-2-[(2-methoxyphenoxy)methyl]indole is CCn1c(COc2ccccc2OC)cc2ccc(F)cc21.
What is the InChIKey of 1-ethyl-6-fluoro-2-[(2-methoxyphenoxy)methyl]indole?
The InChIKey is HKUMUERDYOAOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-3-20-15(10-13-8-9-14(19)11-16(13)20)12-22-18-7-5-4-6-17(18)21-2/h4-11H,3,12H2,1-2H3.
What are the key properties of 1-ethyl-6-fluoro-2-[(2-methoxyphenoxy)methyl]indole?
1-ethyl-6-fluoro-2-[(2-methoxyphenoxy)methyl]indole has a molecular weight of 299.35 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-2-[(2-methoxyphenoxy)methyl]indole is sourced from PubChem (CID 117180685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).